&control calculation = 'relax' restart_mode='from_scratch', prefix='silicon', tstress = .true. tprnfor = .true. pseudo_dir = '/home/Mohaddeseh/Desktop/pseudo/', outdir='/home/Mohaddeseh/tmp/' / &system ibrav= 2, celldm(1) =10.57, nat= 2, ntyp= 1, ecutwfc =18.0, nosym=.true., / &electrons diagonalization='cg' mixing_mode = 'plain' mixing_beta = 0.7 conv_thr = 1.0d-8 / &IONS ion_dynamics='damp', upscale=20, pot_extrapolation='second-order', wfc_extrapolation='second-order', / ATOMIC_SPECIES Si 28.086 Si_CASINO.pp.data.UPF ATOMIC_POSITIONS Si 0.125 0.125 0.125 Si -0.125 -0.125 -0.125 K_POINTS {automatic} 1 1 1 1 1 1